1-benzylsulfinyl-3-(2-fluorophenyl)propan-2-one

C16H15FO2S — CID 64638454

IUPAC1-benzylsulfinyl-3-(2-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccccc1F)CS(=O)Cc1ccccc1
InChIInChI=1S/C16H15FO2S/c17-16-9-5-4-8-14(16)10-15(18)12-20(19)11-13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKeyPVXLCNDJCXUHGL-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.89
Rot. Bonds6

About 1-benzylsulfinyl-3-(2-fluorophenyl)propan-2-one

1-benzylsulfinyl-3-(2-fluorophenyl)propan-2-one (PubChem CID 64638454) has the molecular formula C16H15FO2S and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-benzylsulfinyl-3-(2-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-benzylsulfinyl-3-(2-fluorophenyl)propan-2-one
PubChem CID64638454
Molecular FormulaC16H15FO2S
Molecular Weight290.36 g/mol
Exact Mass290.08
IUPAC Name1-benzylsulfinyl-3-(2-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccccc1F)CS(=O)Cc1ccccc1
InChIInChI=1S/C16H15FO2S/c17-16-9-5-4-8-14(16)10-15(18)12-20(19)11-13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKeyPVXLCNDJCXUHGL-UHFFFAOYSA-N
XLogP2.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butylsulfinyl-3-(2-fluorophenyl)propan-2-one
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1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one
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1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
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1-(2-fluorophenyl)-3-phenoxypropan-2-one
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2-[(2-fluorophenyl)methylsulfinyl]-N-propylacetamide
CID 47022799
1-(2-benzylsulfinylethyl)-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfinyl-3-(2-fluorophenyl)propan-2-one?
The IUPAC name of 1-benzylsulfinyl-3-(2-fluorophenyl)propan-2-one (CID 64638454) is 1-benzylsulfinyl-3-(2-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-benzylsulfinyl-3-(2-fluorophenyl)propan-2-one?
The canonical SMILES for 1-benzylsulfinyl-3-(2-fluorophenyl)propan-2-one is O=C(Cc1ccccc1F)CS(=O)Cc1ccccc1.
What is the InChIKey of 1-benzylsulfinyl-3-(2-fluorophenyl)propan-2-one?
The InChIKey is PVXLCNDJCXUHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2S/c17-16-9-5-4-8-14(16)10-15(18)12-20(19)11-13-6-2-1-3-7-13/h1-9H,10-12H2.
What are the key properties of 1-benzylsulfinyl-3-(2-fluorophenyl)propan-2-one?
1-benzylsulfinyl-3-(2-fluorophenyl)propan-2-one has a molecular weight of 290.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfinyl-3-(2-fluorophenyl)propan-2-one is sourced from PubChem (CID 64638454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).